4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine

C16H23N7O2 — CID 29131756

IUPAC4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1ccc(Oc2nc(NC)nc(N3CCCCCC3)n2)nn1
InChIInChI=1S/C16H23N7O2/c1-3-24-12-8-9-13(22-21-12)25-16-19-14(17-2)18-15(20-16)23-10-6-4-5-7-11-23/h8-9H,3-7,10-11H2,1-2H3,(H,17,18,19,20)
InChIKeyQHGYYVKGEBNHDO-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.27
Rot. Bonds6

About 4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine

4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 29131756) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID29131756
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1ccc(Oc2nc(NC)nc(N3CCCCCC3)n2)nn1
InChIInChI=1S/C16H23N7O2/c1-3-24-12-8-9-13(22-21-12)25-16-19-14(17-2)18-15(20-16)23-10-6-4-5-7-11-23/h8-9H,3-7,10-11H2,1-2H3,(H,17,18,19,20)
InChIKeyQHGYYVKGEBNHDO-UHFFFAOYSA-N
XLogP2.27
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

3-[[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
CID 29139852
4-hexoxy-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80842498
N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80865018
4-(furan-2-ylmethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844803
N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106598566
3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80865821
4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80845958
4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80834392
N-methyl-4-(3-methylbutoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80858158
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228
4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine
CID 27396221
4-but-3-ynoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106795532

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine (CID 29131756) is 4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine is CCOc1ccc(Oc2nc(NC)nc(N3CCCCCC3)n2)nn1.
What is the InChIKey of 4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is QHGYYVKGEBNHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-3-24-12-8-9-13(22-21-12)25-16-19-14(17-2)18-15(20-16)23-10-6-4-5-7-11-23/h8-9H,3-7,10-11H2,1-2H3,(H,17,18,19,20).
What are the key properties of 4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine?
4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 345.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 29131756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).